(E)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide

C17H11BrCl2N2O2 — CID 17269852

IUPAC(E)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide
SMILESN#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(N)=O
InChIInChI=1S/C17H11BrCl2N2O2/c18-13-2-4-16(11(6-13)5-12(8-21)17(22)23)24-9-10-1-3-14(19)7-15(10)20/h1-7H,9H2,(H2,22,23)/b12-5+
InChIKeyZROOMEFJOOHLGH-LFYBBSHMSA-N
MW426.10 g/mol
LogP4.73
Rot. Bonds5

About (E)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide

(E)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide (PubChem CID 17269852) has the molecular formula C17H11BrCl2N2O2 and a molecular weight of 426.10 g/mol. Its IUPAC name is (E)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide
PubChem CID17269852
Molecular FormulaC17H11BrCl2N2O2
Molecular Weight426.10 g/mol
Exact Mass423.94
IUPAC Name(E)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide
SMILESN#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(N)=O
InChIInChI=1S/C17H11BrCl2N2O2/c18-13-2-4-16(11(6-13)5-12(8-21)17(22)23)24-9-10-1-3-14(19)7-15(10)20/h1-7H,9H2,(H2,22,23)/b12-5+
InChIKeyZROOMEFJOOHLGH-LFYBBSHMSA-N
XLogP4.73
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.10
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 124534776
(Z)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)-2-cyanoprop-2-enamide
CID 124541706
(E)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 6278260
[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168533091
(E)-3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-N-phenylprop-2-enamide
CID 94851458
(NE)-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898107
2-benzoyl-3-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 3951064
5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride
CID 46779761
methyl (E)-3-[5-bromo-2-[(2,6-dichlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enoate
CID 17375810
(Z)-3-[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-2-cyano-N,N-dimethylprop-2-enamide
CID 1285854
(E)-3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-N-cyclopentylprop-2-enamide
CID 17255348
5-amino-3-[(E)-2-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 98282588

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide?
The IUPAC name of (E)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide (CID 17269852) is (E)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide.
What is the SMILES notation for (E)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide?
The canonical SMILES for (E)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide is N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(N)=O.
What is the InChIKey of (E)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide?
The InChIKey is ZROOMEFJOOHLGH-LFYBBSHMSA-N. The full InChI is InChI=1S/C17H11BrCl2N2O2/c18-13-2-4-16(11(6-13)5-12(8-21)17(22)23)24-9-10-1-3-14(19)7-15(10)20/h1-7H,9H2,(H2,22,23)/b12-5+.
What are the key properties of (E)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide?
(E)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide has a molecular weight of 426.10 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide is sourced from PubChem (CID 17269852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).